N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methyl]cyclohexanamine;hydrochloride

C24H27Cl2NO — CID 17296016

IUPACN-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methyl]cyclohexanamine;hydrochloride
SMILESCl.Clc1ccc(COc2ccc3ccccc3c2CNC2CCCCC2)cc1
InChIInChI=1S/C24H26ClNO.ClH/c25-20-13-10-18(11-14-20)17-27-24-15-12-19-6-4-5-9-22(19)23(24)16-26-21-7-2-1-3-8-21;/h4-6,9-15,21,26H,1-3,7-8,16-17H2;1H
InChIKeyQYCLSNBYPSIZAD-UHFFFAOYSA-N
MW416.39 g/mol
LogP6.92
Rot. Bonds6

About N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methyl]cyclohexanamine;hydrochloride

N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methyl]cyclohexanamine;hydrochloride (PubChem CID 17296016) has the molecular formula C24H27Cl2NO and a molecular weight of 416.39 g/mol. Its IUPAC name is N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methyl]cyclohexanamine;hydrochloride.

Molecular Properties

Compound NameN-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methyl]cyclohexanamine;hydrochloride
PubChem CID17296016
Molecular FormulaC24H27Cl2NO
Molecular Weight416.39 g/mol
Exact Mass415.15
IUPAC NameN-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methyl]cyclohexanamine;hydrochloride
SMILESCl.Clc1ccc(COc2ccc3ccccc3c2CNC2CCCCC2)cc1
InChIInChI=1S/C24H26ClNO.ClH/c25-20-13-10-18(11-14-20)17-27-24-15-12-19-6-4-5-9-22(19)23(24)16-26-21-7-2-1-3-8-21;/h4-6,9-15,21,26H,1-3,7-8,16-17H2;1H
InChIKeyQYCLSNBYPSIZAD-UHFFFAOYSA-N
XLogP6.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.39
LogP ≤ 56.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-phenylmethoxynaphthalen-1-yl)methyl]cyclohexanamine
CID 4721414
N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]cyclopentanamine;hydrochloride
CID 17054828
N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]cycloheptanamine;hydrochloride
CID 17294822
N-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]cyclohexanamine
CID 4715827
1-benzyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]piperidin-4-amine;dihydrochloride
CID 17159055
N-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclooctanamine
CID 4723071
1-(2-chlorophenyl)-N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methyl]methanamine;hydrochloride
CID 17289773
N-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]cyclopropanamine
CID 4721070
N-[[3-bromo-4-[(4-chlorophenyl)methoxy]phenyl]methyl]cycloheptanamine;hydrochloride
CID 17057052
N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methyl]-2-methylbutan-2-amine;hydrochloride
CID 17210770
2-[2-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]ethylamino]ethanol;dihydrochloride
CID 17294792
N-[(5-chloro-2-phenylmethoxyphenyl)methyl]cyclopentanamine;hydrochloride
CID 17289738

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methyl]cyclohexanamine;hydrochloride?
The IUPAC name of N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methyl]cyclohexanamine;hydrochloride (CID 17296016) is N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methyl]cyclohexanamine;hydrochloride.
What is the SMILES notation for N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methyl]cyclohexanamine;hydrochloride?
The canonical SMILES for N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methyl]cyclohexanamine;hydrochloride is Cl.Clc1ccc(COc2ccc3ccccc3c2CNC2CCCCC2)cc1.
What is the InChIKey of N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methyl]cyclohexanamine;hydrochloride?
The InChIKey is QYCLSNBYPSIZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClNO.ClH/c25-20-13-10-18(11-14-20)17-27-24-15-12-19-6-4-5-9-22(19)23(24)16-26-21-7-2-1-3-8-21;/h4-6,9-15,21,26H,1-3,7-8,16-17H2;1H.
What are the key properties of N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methyl]cyclohexanamine;hydrochloride?
N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methyl]cyclohexanamine;hydrochloride has a molecular weight of 416.39 g/mol, XLogP of 6.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methyl]cyclohexanamine;hydrochloride is sourced from PubChem (CID 17296016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).